On Wed, Jun 26, 2013 at 1:16 AM, Parker de Waal <parker.dewaa...@kzoo.edu> wrote: > Hi Everyone, > > I'm very interested in using a set of recently derived AMBER heme > topologies within GROMACS to perform MD simulation on P450 enzymes. > > Specifically I would like to use parameters found here > https://gist.github.com/anonymous/995efe4d44c6cf0584ef > > After trying to use topolbuild1.3, found on the GROMACS website I was > unable to successfully make the installation (using Ubuntu 12.04). While no > errors occurred during the make process trying to use topolbuild results in > 'topolbuild: command not found' within the same folder as the previously > built file.
I have nothing to say on point, but the error message is normal when you do not have the current working directory in your path. Try ./topolbuild Mark > If anyone has any insight into how to convert these AMBER topologies into > GROMACS compatible .itp .gro files I would be extremely grateful. > > Best, > Parker > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
